DockMetrics
MOLECULAR DOCKING Inhibition Efficiency Index (IEI) and Selectivity Entropy Index (SEI)

Docking Result

CHEMBL471731_dpp4

Atoms: 207
Models: 9
Best Energy: -6.084 kcal/mol

Binding Energies:
  • Pose 1: -6.084 kcal/mol
  • Pose 2: -6.056 kcal/mol
  • Pose 3: -6.021 kcal/mol
  • Pose 4: -5.862 kcal/mol
  • Pose 5: -5.811 kcal/mol
  • Pose 6: -5.805 kcal/mol
  • Pose 7: -5.796 kcal/mol
  • Pose 8: -5.683 kcal/mol
  • Pose 9: -5.628 kcal/mol
CHEMBL471731_dpp4
Energy Plot
RMSD Scatter Plot